Vitas-M small molecule compound

methyl 3-({[(5-ethyl-6-hydroxy-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STK188501
SMILES COC(=O)c1cccc(c1)NC(=O)CSc1nc(=O)c(c([nH]1)O)CC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C16H17N3O5S MW 363.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O5S/c1-3-11-13(21)18-16(19-14(11)22)25-8-12(20)17-10-6-4-5-9(7-10)15(23)24-2/h4-7H,3,8H2,1-2H3,(H,17,20)(H2,18,19,21,22)
InChIKey
XMKGNXZVWQKUFN-UHFFFAOYSA-N
Synonyms
692774-77-9
692774779
CCC1=C(N=C(NC1=O)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)O
COC(=O)c1cccc(c1)NC(=O)CSc1nc(=O)c(c((nH)1)O)CC
InChI=1SC16H17N3O5Sc131113(21)1816(1914(11)22)25812(20)17106459(710)15(23)242h47H38H212H3(H1720)(H218192122)
METHYL3((((5ETHYL6HYDROXY4OXO14DIHYDROPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL3((2((5ETHYL4HYDROXY6OXO1HPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD06666072
ZINC000009907708
ZINC9907708

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Available files

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